| SpectraBase Compound ID | 8IdDMn2glK3 |
|---|---|
| InChI | InChI=1S/C11H8O4/c1-6-9(11(13)14)10(12)7-4-2-3-5-8(7)15-6/h2-5H,1H3,(H,13,14) |
| InChIKey | VXMFTSYQYYLWTN-UHFFFAOYSA-N |
| Mol Weight | 204.18 g/mol |
| Molecular Formula | C11H8O4 |
| Exact Mass | 204.042259 g/mol |
Raman Spectrum
Subscribe to view the full spectrum.
The full spectrum can only be viewed using a FREE account.
| SpectraBase Spectrum ID | FeOkDwJbpKD |
|---|---|
| Name | 2-Methyl-4-oxo-4H-1-benzopyran-3-carboxylic acid |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 204.042258734 u |
| Formula | C11H8O4 |
| InChI | InChI=1S/C11H8O4/c1-6-9(11(13)14)10(12)7-4-2-3-5-8(7)15-6/h2-5H,1H3,(H,13,14) |
| InChIKey | VXMFTSYQYYLWTN-UHFFFAOYSA-N |
| Molecular Weight | 204.181 g/mol |
| SMILES | OC(C=1C(C=2C=CC=CC2OC1C)=O)=O |
| Spectrum/Structure Validation Score (Raman) | 0.944317 |